CHEBI:16418 - (20S)-17,20-dihydroxypregn-4-en-3-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (20S)-17,20-dihydroxypregn-4-en-3-one
ChEBI ID CHEBI:16418
ChEBI ASCII Name (20S)-17,20-dihydroxypregn-4-en-3-one
Definition The (20S)-stereoisomer of 17,20-dihydroxypregn-4-en-3-one.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:19169, CHEBI:784, CHEBI:11337
Supplier Information
Download Molfile XML SDF
Formula C21H32O3
Net Charge 0
Average Mass 332.47698
Monoisotopic Mass 332.23514
InChI InChI=1S/C21H32O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12-13,16-18,22,24H,4-11H2,1-3H3/t13-,16+,17-,18-,19-,20-,21-/m0/s1
InChIKey MASCESDECGBIBB-HNXXTFFGSA-N
SMILES [H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1(O)[C@H](C)O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed
Roles Classification
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (20S)-17,20-dihydroxypregn-4-en-3-one (CHEBI:16418) has role mouse metabolite (CHEBI:75771)
(20S)-17,20-dihydroxypregn-4-en-3-one (CHEBI:16418) is a 17,20-dihydroxypregn-4-en-3-one (CHEBI:36726)
IUPAC Name
(20S)-17,20-dihydroxypregn-4-en-3-one
Synonym Source
17alpha,20alpha-Dihydroxypregn-4-en-3-one KEGG COMPOUND
Manual Xref Database
C04518 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
3214896 Beilstein Registry Number Beilstein
3214896 Reaxys Registry Number Reaxys
6223300 Beilstein Registry Number Beilstein
652-69-7 CAS Registry Number KEGG COMPOUND
Last Modified
27 January 2016